UCSF

ZINC36783479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 5.19 -134.54 4 4 2 51 264.369 5
Hi High (pH 8-9.5) 1.82 4.81 -35.59 3 4 1 49 263.361 5
Hi High (pH 8-9.5) 1.82 3.54 -49.63 3 4 1 49 263.361 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )